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Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion, , , , , , , , , and 31 other author(s). Faraday Discussions, (2018)Relationship of Crystal Structure to Interionic Interactions in the Lithium-manganese Spinel Oxides., , , and . Comput. Chem., 24 (5): 609-613 (2000)Atomic Simulation Interface (ASI): application programming interface for electronic structure codes., , , , , , and . J. Open Source Softw., 8 (86): 5186 (June 2023)Materials and Molecular Modeling at the Exascale., , , , , , , , , and 7 other author(s). Comput. Sci. Eng., 24 (1): 36-45 (2022)Zinc oxide: A case study in contemporary computational solid state chemistry., , , , and . J. Comput. Chem., 29 (13): 2234-2249 (2008)Structure Refinement of Quaternary Spinel Oxides - Experiments and Modelling., , , and . Comput. Chem., 24 (5): 603-607 (2000)Introducing k-point parallelism into VASP., , , , , , and . Comput. Phys. Commun., 183 (8): 1696-1701 (2012)ExCALIBUR - U.K.'s Preparation for the Arrival of the Next Generation of HPC., , , and . Comput. Sci. Eng., 24 (1): 5-7 (2022)